Spektraris NMR
(8alpha,9beta,13alpha,14beta,17alpha,18beta)-21,21-Dimethyl-29,30-dinorgammacerane-2alpha,3beta,22alpha-triol
Common Name: (8alpha,9beta,13alpha,14beta,17alpha,18beta)-21,21-Dimethyl-29,30-dinorgammacerane-2alpha,3beta,22alpha-triol
Synonyms: (8alpha,9beta,13alpha,14beta,17alpha,18beta)-21,21-Dimethyl-29,30-dinorgammacerane-2alpha,3beta,22alpha-triol
CAS Registry Number:
InChI: InChI=1S/C30H52O3/c1-25(2)15-16-27(5)18(23(25)32)11-13-29(7)21(27)9-10-22-28(6)17-19(31)24(33)26(3,4)20(28)12-14-30(22,29)8/h18-24,31-33H,9-17H2,1-8H3/t18-,19-,20+,21+,22+,23-,24+,27-,28+,29+,30+/m1/s1
InChIKey: InChIKey=UDYWSIQCDWKDPW-LWQWOSQPSA-N
Formula: C30H52O3
Molecular Weight: 460.733211
Exact Mass: 460.391646
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wilkins A. L., Bremer J., Ralph J., Holland P. T., Ronaldson K. J., Jager P. M., Bird P. W. Aust J Chem (1989) 42, 243
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Stictanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 41.6 |
| 2 (CH) | 71.2 |
| 3 (CH) | 84.7 |
| 4 (C) | 39.1 |
| 5 (CH) | 48 |
| 6 (CH2) | 19 |
| 7 (CH2) | 34.3 |
| 8 (C) | 41.9 |
| 9 (CH) | 46.5 |
| 10 (C) | 37.7 |
| 11 (CH2) | 22.9 |
| 12 (CH2) | 21.6 |
| 13 (CH) | 48.9 |
| 14 (C) | 42.6 |
| 15 (CH2) | 31.9 |
| 16 (CH2) | 19.4 |
| 17 (CH) | 48.7 |
| 18 (C) | 38.5 |
| 19 (CH2) | 35.1 |
| 20 (CH2) | 35.1 |
| 21 (C) | 35.9 |
| 22 (CH) | 76.6 |
| 23 (CH3) | 29.8 |
| 24 (CH3) | 17.3 |
| 25 (CH3) | 24 |
| 26 (CH3) | 22.6 |
| 27 (CH3) | 17.2 |
| 28 (CH3) | 13.6 |
| 29 (CH3) | 29.8 |
| 30 (CH3) | 18.6 |
